(4,4-difluoro-1-methylpiperidin-3-yl)methanamine

C7H14F2N2 — CID 83854893

IUPAC(4,4-difluoro-1-methylpiperidin-3-yl)methanamine
SMILESCN1CCC(F)(F)C(CN)C1
InChIInChI=1S/C7H14F2N2/c1-11-3-2-7(8,9)6(4-10)5-11/h6H,2-5,10H2,1H3
InChIKeyWAGFPUSMLPSDHU-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.53
Rot. Bonds1

About (4,4-difluoro-1-methylpiperidin-3-yl)methanamine

(4,4-difluoro-1-methylpiperidin-3-yl)methanamine (PubChem CID 83854893) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4,4-difluoro-1-methylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1-methylpiperidin-3-yl)methanamine
PubChem CID83854893
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name(4,4-difluoro-1-methylpiperidin-3-yl)methanamine
SMILESCN1CCC(F)(F)C(CN)C1
InChIInChI=1S/C7H14F2N2/c1-11-3-2-7(8,9)6(4-10)5-11/h6H,2-5,10H2,1H3
InChIKeyWAGFPUSMLPSDHU-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methylpiperidin-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-1-methylpiperidin-3-yl)methanamine (CID 83854893) is (4,4-difluoro-1-methylpiperidin-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-1-methylpiperidin-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-1-methylpiperidin-3-yl)methanamine is CN1CCC(F)(F)C(CN)C1.
What is the InChIKey of (4,4-difluoro-1-methylpiperidin-3-yl)methanamine?
The InChIKey is WAGFPUSMLPSDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-11-3-2-7(8,9)6(4-10)5-11/h6H,2-5,10H2,1H3.
What are the key properties of (4,4-difluoro-1-methylpiperidin-3-yl)methanamine?
(4,4-difluoro-1-methylpiperidin-3-yl)methanamine has a molecular weight of 164.20 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylpiperidin-3-yl)methanamine is sourced from PubChem (CID 83854893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).